Geometry & MOs

Info

ID:	143266
PubChem CID:	53176520
Reduced:	ClFO2N5H19C21 (1)
Stoich.:	ABC2D5E19F21 (1)
Weight, g/mol:	363.085521
ΔH_f, kcal/mol:	-30.43
Dipole, Da:	4.58
IP(EA), eV:	-8.76(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(5Z)-5-(2,4-dioxo-1H-quinolin-3-ylidene)-2H-1,2,4-oxadiazol-3-yl]benzoate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CCNC(=O)CC2=NNC(=O)C3N2NC(=C3)C4=CC=C(C=C4)F)Cl

DOS

IR

Vibrations